0 B19R2.1022145 CC(=O)OCC(O)COc1cccc2c1cc[nH]2 34a_100000763377_200000139349 [0,0,0,0,0,0|2,0,1]=3 1 B19R2.1022145 CC(=O)OCC(O)COc1cccc2c1ccs2 34a_100000077759_200000139349 [0,0,0,0,0,0|3,0,1]=4 2 B19R2.1022145 CC(=O)OCC(O)COc1cccc2c1ccs2 7a_100000077759_200000139349 [0,0,0,0,0,0|3,0,1]=4 3 B19R2.1022145 CC(=O)OCC(O)CSc1cccc2c1cc[nH]2 62a_200000139349_100000685724 [0,0,0,0,0,0|2,1,1]=4 4 B19R2.1022145 CC(=O)SCC(C)COc1cccc2c1cc[nH]2 34a_100000763377_200000116872 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.1022145 CC(C)CCC(C)NCc1cccc2c1cc[nH]2 207a_100138410893_100000750904 [0,0,0,0,0,0|4,0,0]=4 6 B19R2.1022145 CC(C)CCC(C)NCc1cccc2c1cc[nH]2 270004a_100011912549_100000210476 [0,0,0,0,0,0|4,0,0]=4 7 B19R2.1022145 CC(C)CNC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000183291 [0,0,0,0,0,0|2,0,2]=4 8 B18R2.71557 CC(=O)CCCCOc1cccc2c1cc[nH]2 34a_100000763377_100009817362 [1,0,0,0,0,0|2,0,1]=4 9 B18R2.71557 CC(=O)OCCCOc1cccc2c1cc[nH]2 34a_100000763377_100000042594 [1,0,0,0,0,0|2,0,1]=4 10 B18R2.71557 CC(=O)SCCCOc1cccc2c1cc[nH]2 34a_100000763377_100000038929 [1,0,0,0,0,0|2,0,1]=4 11 B18R2.71557 CC(=S)OCCCOc1cccc2c1cc[nH]2 34a_100000763377_200135323944 [1,0,0,0,0,0|2,0,1]=4 12 B18R2.71557 CC(C)CCCCNc1cccc2c1ccs2 34a_100020628958_100011216152 [1,0,0,0,0,0|3,0,0]=4 13 B18R2.71557 CC(C)CCCCOc1cccc2c1CCN2 34a_100000703684_100011216152 [1,0,0,0,0,0|1,0,2]=4 14 B18R2.71557 CC(C)CCCCOc1cccc2c1cc[nH]2 34a_100000763377_100011216152 [1,0,0,0,0,0|1,0,0]=2 15 B18R2.71557 CC(C)CCCCOc1cccc2c1ccs2 34a_100000077759_100011216152 [1,0,0,0,0,0|2,0,0]=3 16 B18R2.71557 CC(C)CCCCOc1cccc2c1ccs2 7a_100000077759_100011216152 [1,0,0,0,0,0|2,0,0]=3 17 B18R2.71557 CC(C)CCCCOc1cccc2c1ncs2 34a_100000101385_100011216152 [1,0,0,0,0,0|3,0,0]=4 18 B18R2.71557 CC(C)CCCCOc1cccc2c1ncs2 7a_100000101385_100011216152 [1,0,0,0,0,0|3,0,0]=4 19 B18R2.71557 CC(C)CCCCSc1cccc2c1cc[nH]2 62a_100011216152_100000685724 [1,0,0,0,0,0|1,1,0]=3 20 B18R2.71557 CC(C)CCCCSc1cccc2c1cco2 62a_100011216152_100000756496 [1,0,0,0,0,0|2,1,0]=4 21 B18R2.71557 CC(C)CCCCSc1cccc2c1ccs2 62a_100011216152_100009816950 [1,0,0,0,0,0|2,1,0]=4 22 B18R2.71557 CC(C)CCCCSc1cccc2c1cn[nH]2 62a_100011216152_100000753301 [1,0,0,0,0,0|2,1,0]=4 23 B18R2.71557 CC(C)CCCCSc1cccc2c1nc[nH]2 62a_100011216152_100011935113 [1,0,0,0,0,0|2,1,0]=4 24 B18R2.71557 CC(C)CCCCSc1ccnc2c1cc[nH]2 62a_100011216152_100000766882 [1,0,0,0,0,0|2,1,0]=4 25 B18R2.71557 CC(C)CCCCSc1cncc2c1cc[nH]2 62a_100011216152_100009840476 [1,0,0,0,0,0|2,1,0]=4 26 B18R2.71557 CC(C)CCCCSc1nccc2c1cc[nH]2 62a_100011216152_100000086534 [1,0,0,0,0,0|2,1,0]=4 27 B18R2.71557 CC(C)CCCNCc1cccc2c1cc[nH]2 207a_200000737386_100000750904 [1,0,0,0,0,0|3,0,0]=4 28 B18R2.71557 CC(C)NCCOCc1cccc2c1cn[nH]2 34a_100000224655_100020636439 [1,0,0,0,0,0|3,0,0]=4 29 B18R2.71557 CC(C)OCCNCc1cccc2c1cc[nH]2 207a_100000701111_100000750904 [1,0,0,0,0,0|3,0,0]=4 30 B18R2.71557 CC(C)SCCNCc1cccc2c1cc[nH]2 207a_100000731138_100000750904 [1,0,0,0,0,0|3,0,0]=4 31 B20R2.2606 CC(=O)OCC(O)COc1cccc2c1ccn2C 34a_100000094269_200000139349 [0,1,0,0,0,0|2,0,1]=4 32 B20R2.152960 CC(=O)OCC(O)COc1cccc2c1cc([nH]2)C 34a_200000059750_200000139349 [0,1,0,0,0,0|2,0,1]=4 33 B20R2.578730 CC(=O)OCC(O)COc1ccc(c2c1cc[nH]2)C 34a_100000132354_200000139349 [0,1,0,0,0,0|2,0,1]=4 34 B20R3.14613658 CC1(OCC(O1)CSc2cccc3c2cc[nH]3)C 62a_100000198056_100000685724 [0,0,0,1,0,0|1,1,0]=3 35 B20R3.14613658 CC1(OCC(O1)CSc2cccc3c2cco3)C 62a_100000198056_100000756496 [0,0,0,1,0,0|2,1,0]=4 36 B20R3.14613658 CC1(OCC(O1)CSc2cccc3c2ccs3)C 62a_100000198056_100009816950 [0,0,0,1,0,0|2,1,0]=4 37 B20R3.14613658 CC1(OCC(O1)CSc2cccc3c2cn[nH]3)C 62a_100000198056_100000753301 [0,0,0,1,0,0|2,1,0]=4 38 B20R3.14613658 CC1(OCC(O1)CSc2cccc3c2nc[nH]3)C 62a_100000198056_100011935113 [0,0,0,1,0,0|2,1,0]=4 39 B20R3.14613658 CC1(OCC(O1)CSc2ccnc3c2cc[nH]3)C 62a_100000198056_100000766882 [0,0,0,1,0,0|2,1,0]=4 40 B20R3.14613658 CC1(OCC(O1)CSc2cncc3c2cc[nH]3)C 62a_100000198056_100009840476 [0,0,0,1,0,0|2,1,0]=4 41 B20R3.14613658 CC1(OCC(O1)CSc2nccc3c2cc[nH]3)C 62a_100000198056_100000086534 [0,0,0,1,0,0|2,1,0]=4 42 B20R3.14613658 CC1(OC[C@@H](O1)COc2cccc3c2ccs3)C 7a_100000077759_100015422573 [0,0,0,1,0,0|2,0,0]=3 43 B20R3.14613658 CC1(OC[C@@H](O1)COc2cccc3c2ncs3)C 7a_100000101385_100015422573 [0,0,0,1,0,0|3,0,0]=4 44 B20R3.14613658 CC1(OC[C@@H](O1)CSc2cccc3c2cc[nH]3)C 62a_100015422573_100000685724 [0,0,0,1,0,0|1,1,0]=3 45 B20R3.14613658 CC1(OC[C@@H](O1)CSc2cccc3c2cco3)C 62a_100015422573_100000756496 [0,0,0,1,0,0|2,1,0]=4 46 B20R3.14613658 CC1(OC[C@@H](O1)CSc2cccc3c2ccs3)C 62a_100015422573_100009816950 [0,0,0,1,0,0|2,1,0]=4 47 B20R3.14613658 CC1(OC[C@@H](O1)CSc2cccc3c2cn[nH]3)C 62a_100015422573_100000753301 [0,0,0,1,0,0|2,1,0]=4 48 B20R3.14613658 CC1(OC[C@@H](O1)CSc2cccc3c2nc[nH]3)C 62a_100015422573_100011935113 [0,0,0,1,0,0|2,1,0]=4 49 B20R3.14613658 CC1(OC[C@@H](O1)CSc2ccnc3c2cc[nH]3)C 62a_100015422573_100000766882 [0,0,0,1,0,0|2,1,0]=4 50 B20R3.14613658 CC1(OC[C@@H](O1)CSc2cncc3c2cc[nH]3)C 62a_100015422573_100009840476 [0,0,0,1,0,0|2,1,0]=4 51 B20R3.14613658 CC1(OC[C@@H](O1)CSc2nccc3c2cc[nH]3)C 62a_100015422573_100000086534 [0,0,0,1,0,0|2,1,0]=4 52 B18R2.154610 CC(C)CCC(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_100000210312 [0,0,0,0,1,0|1,0,2]=4 53 B18R2.154610 CC(C)CCC(C)Oc1cccc2c1cc[nH]2 34a_100000763377_100011261404 [0,0,0,0,1,0|2,0,0]=3 54 B18R2.154610 CC(C)CCC(C)Oc1cccc2c1ccs2 34a_100000077759_100011261404 [0,0,0,0,1,0|3,0,0]=4 55 B18R2.154610 CC(C)CCC(C)Sc1cccc2c1cc[nH]2 62a_100011261404_100000685724 [0,0,0,0,1,0|2,1,0]=4 56 B18R2.154610 CC(C)CCN(C)Cc1cccc2c1cc[nH]2 2230a_100000719444_100000210312 [0,0,0,0,1,0|3,0,0]=4 57 B18R2.154610 CC(C)CCN(C)Cc1cccc2c1cc[nH]2 269982a_100000719444_100000210312 [0,0,0,0,1,0|3,0,0]=4 58 B18R2.154610 CC(C)NNC(=O)Cc1cccc2c1cc[nH]2 22a_100000741168_100000094506 [0,0,0,0,1,0|1,0,2]=4 59 B18R2.154610 CC(C)OCN(C)Cc1cccc2c1cc[nH]2 2230a_100000719444_100000709892 [0,0,0,0,1,0|3,0,0]=4 60 B18R2.154610 CC(C)OCN(C)Cc1cccc2c1cc[nH]2 269982a_100000719444_100000709892 [0,0,0,0,1,0|3,0,0]=4 61 B18R2.560567 CC(C)CC(C)NCc1cccc2c1cc[nH]2 207a_100000692259_100000750904 [0,0,0,0,1,0|3,0,0]=4 62 B18R2.560567 CC(C)NC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000183996 [0,0,0,0,1,0|0,0,2]=3 63 B18R2.560567 CC(C)NC(=O)COc1cccc2c1ccs2 34a_100000077759_100000183996 [0,0,0,0,1,0|1,0,2]=4 64 B18R2.560567 CC(C)NC(=O)COc1cccc2c1ccs2 7a_100000077759_100000183996 [0,0,0,0,1,0|1,0,2]=4 65 B18R2.560567 CC(C)NC(=O)CSc1cccc2c1cc[nH]2 62a_100000183996_100000685724 [0,0,0,0,1,0|0,1,2]=4 66 B18R2.560567 CC(C)OC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100011215430 [0,0,0,0,1,0|1,0,2]=4 67 B18R2.560567 CC(COc1cccc2c1ccs2)CN(C)C 7a_100000077759_100015348159 [0,0,0,0,1,0|3,0,0]=4 68 B18R2.560567 CC(CSc1cccc2c1cc[nH]2)CN(C)C 62a_100015348159_100000685724 [0,0,0,0,1,0|2,1,0]=4 69 B17R1.747 C/C=C/c1ccccc1OCCCCC(C)C 34a_200000189419_100011216152 [1,0,1,0,0,0|2,0,0]=4 70 B17R1.747 C/C=C/c1ccccc1OCCCCC(C)C 7a_200000189419_100011216152 [1,0,1,0,0,0|2,0,0]=4 71 B17R1.28454 COc1cccc(c1)OCC(O)CNC(C)C 2230a_100015186960_100000210206 [1,0,1,0,0,0|1,0,1]=4 72 B17R1.28454 COc1cccc(c1)OCC(O)CNC(C)C 34a_100015186960_100000210206 [1,0,1,0,0,0|1,0,1]=4 73 B17R2.10878 CC/C=C\CCOc1cccc2c1cc[nH]2 34a_100000763377_100015370543 [2,0,0,0,0,0|1,0,1]=4 74 B17R2.10878 CCCCCCOc1cccc2c1cc[nH]2 34a_100000763377_100000210314 [2,0,0,0,0,0|1,0,0]=3 75 B17R2.10878 CCCCCCOc1cccc2c1ccs2 34a_100000077759_100000210314 [2,0,0,0,0,0|2,0,0]=4 76 B17R2.10878 CCCCCCOc1cccc2c1ccs2 7a_100000077759_100000210314 [2,0,0,0,0,0|2,0,0]=4 77 B17R2.10878 CCCCCCSc1cccc2c1cc[nH]2 62a_100000210314_100000685724 [2,0,0,0,0,0|1,1,0]=4 78 B17R2.10878 CCCCOCOc1cccc2c1cc[nH]2 34a_100000763377_100011995733 [2,0,0,0,0,0|2,0,0]=4 79 B17R2.10878 CCCOCCOc1cccc2c1cc[nH]2 34a_100000763377_100011215938 [2,0,0,0,0,0|2,0,0]=4 80 B17R2.10878 CCOCCCOc1cccc2c1cc[nH]2 34a_100000763377_100012232248 [2,0,0,0,0,0|1,0,0]=3 81 B17R2.10878 CCOCCCOc1cccc2c1ccs2 34a_100000077759_100012232248 [2,0,0,0,0,0|2,0,0]=4 82 B17R2.10878 CCOCCCOc1cccc2c1ccs2 7a_100000077759_100012232248 [2,0,0,0,0,0|2,0,0]=4 83 B17R2.10878 CCOCCCSc1cccc2c1cc[nH]2 62a_100012232248_100000685724 [2,0,0,0,0,0|1,1,0]=4 84 B17R2.10878 COCCCCOc1cccc2c1cc[nH]2 34a_100000763377_100000755781 [2,0,0,0,0,0|2,0,0]=4 85 B17R2.10878 FCCCCCOc1cccc2c1cc[nH]2 34a_100000763377_100000729378 [2,0,0,0,0,0|2,0,0]=4 86 B17R2.10878 OCCCCCOc1cccc2c1cc[nH]2 34a_100000763377_100000746330 [2,0,0,0,0,0|2,0,0]=4 87 B17R2.74946 CCCC(C)COc1cccc2c1cc[nH]2 34a_100000763377_100011216630 [2,0,0,0,0,0|1,0,0]=3 88 B17R2.74946 CCCC(C)COc1cccc2c1ccs2 34a_100000077759_100011216630 [2,0,0,0,0,0|2,0,0]=4 89 B17R2.74946 CCCC(C)COc1cccc2c1ccs2 7a_100000077759_100011216630 [2,0,0,0,0,0|2,0,0]=4 90 B17R2.74946 CCCC(C)CSc1cccc2c1cc[nH]2 62a_100011216630_100000685724 [2,0,0,0,0,0|1,1,0]=4 91 B17R2.74946 CCNC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000183381 [2,0,0,0,0,0|0,0,2]=4 92 B17R2.74946 COCC(O)COc1cccc2c1cc[nH]2 34a_100000763377_100011215053 [2,0,0,0,0,0|1,0,0]=3 93 B17R2.74946 COCC(O)COc1cccc2c1ccs2 34a_100000077759_100011215053 [2,0,0,0,0,0|2,0,0]=4 94 B17R2.74946 COCC(O)COc1cccc2c1ccs2 7a_100000077759_100011215053 [2,0,0,0,0,0|2,0,0]=4 95 B17R2.74946 COCC(O)CSc1cccc2c1cc[nH]2 62a_100011215053_100000685724 [2,0,0,0,0,0|1,1,0]=4 96 B19R2.2 CC(C)CCCCNc1cccc2c1ccn2C 34a_100000750317_100011216152 [1,1,0,0,0,0|2,0,0]=4 97 B19R2.2 CC(C)CCCCOc1cccc2c1ccn2C 34a_100000094269_100011216152 [1,1,0,0,0,0|1,0,0]=3 98 B19R2.2 CC(C)CCCCOc1cccc2c1cnn2C 34a_100009856027_100011216152 [1,1,0,0,0,0|2,0,0]=4 99 B19R2.2 CC(C)CCCCSc1cccc2c1ccn2C 62a_100011216152_200011934935 [1,1,0,0,0,0|1,1,0]=4 100 B19R2.7316 CC(C)CCCCNc1cc(cc2c1cc[nH]2)F 34a_100000085186_100011216152 [1,1,0,0,0,0|2,0,0]=4 101 B19R2.7316 CC(C)CCCCSc1cc(cc2c1cc[nH]2)Br 62a_100009814761_100011216152 [1,1,0,0,0,0|1,1,0]=4 102 B19R2.7316 CC(C)CCCCSc1cc(cc2c1cc[nH]2)Br 62a_100011216152_100009814761 [1,1,0,0,0,0|1,1,0]=4 103 B19R2.7316 CC(C)CCCCSc1cc(cc2c1cc[nH]2)F 62a_100010188273_100011216152 [1,1,0,0,0,0|1,1,0]=4 104 B19R2.7316 CC(C)CCCCSc1cc(cc2c1cc[nH]2)F 62a_100011216152_100010188273 [1,1,0,0,0,0|1,1,0]=4 105 B19R2.7316 CC(C)CCCCSc1cc(cc2c1cc[nH]2)N 62a_100011216152_100010006569 [1,1,0,0,0,0|1,1,0]=4 106 B19R2.7316 Cc1cc(c2cc[nH]c2c1)SCCCCC(C)C 62a_100011216152_100010186026 [1,1,0,0,0,0|1,1,0]=4 107 B19R2.7657 Cc1cc2c(cccc2[nH]1)OCCCCC(C)C 34a_200000059750_100011216152 [1,1,0,0,0,0|1,0,0]=3 108 B19R2.7657 Cc1cc2c(cccc2[nH]1)SCCCCC(C)C 62a_100011216152_100010143266 [1,1,0,0,0,0|1,1,0]=4 109 B19R2.48523 CC(C)CCCCSc1c(ccc2c1cc[nH]2)F 62a_100011216152_100102525403 [1,1,0,0,0,0|1,1,0]=4 110 B19R2.48523 Cc1ccc2[nH]ccc2c1SCCCCC(C)C 62a_100011216152_100010248896 [1,1,0,0,0,0|1,1,0]=4 111 B19R2.96646 CC(C)CCCCSc1ccc(c2c1cc[nH]2)F 62a_100011216152_100010006601 [1,1,0,0,0,0|1,1,0]=4 112 B19R2.96646 Cc1ccc(c2c1[nH]cc2)OCCCCC(C)C 34a_100000132354_100011216152 [1,1,0,0,0,0|1,0,0]=3 113 B19R2.96646 Cc1ccc(c2c1[nH]cc2)SCCCCC(C)C 62a_100011216152_100009820812 [1,1,0,0,0,0|1,1,0]=4 114 B19R2.234411 CC(C)N(C)CCNCc1cccc2c1cc[nH]2 207a_100000749581_100000750904 [1,1,0,0,0,0|2,0,0]=4 115 B19R2.604008 Cc1c[nH]c2c1c(ccc2)SCCCCC(C)C 62a_100011216152_100010194227 [1,1,0,0,0,0|1,1,0]=4 116 B19R2.1021015 CC(C)CCCCC(=O)c1cccc2c1cc[nH]2 1458a_100000740066_100011216152 [1,1,0,0,0,0|2,0,0]=4 117 B19R2.1395695 CC(C)NC(=O)CCOc1cccc2c1ccs2 7a_100000077759_100000737564 [1,1,0,0,0,0|1,0,1]=4 118 B19R2.1395695 CC(C)NC(=O)CCSc1cccc2c1cc[nH]2 62a_100000737564_100000685724 [1,1,0,0,0,0|0,1,1]=4 119 B19R2.128578 COC(=O)C[C@@H](O)COc1cccc2c1cc[nH]2 34a_100000763377_100000754131 [1,1,0,0,0,0|2,0,0]=4 120 B19R2.1058924 CCCCC(CC)COc1cccc2c1cc[nH]2 34a_100000763377_100000211942 [1,1,0,0,0,0|2,0,0]=4 121 B19R2.2542 CC(C)CCC(C)Oc1cccc2c1ccn2C 34a_100000094269_100011261404 [0,1,0,0,1,0|2,0,0]=4 122 B19R2.7658 Cc1cc2c(cccc2[nH]1)OC(C)CCC(C)C 34a_200000059750_100011261404 [0,1,0,0,1,0|2,0,0]=4 123 B19R2.96647 Cc1ccc(c2c1[nH]cc2)OC(C)CCC(C)C 34a_100000132354_100011261404 [0,1,0,0,1,0|2,0,0]=4 124 B19R2.1020760 CC(C)NC(=O)C(C)Oc1cccc2c1cc[nH]2 34a_100000763377_100000195394 [0,1,0,0,1,0|1,0,1]=4 125 B19R2.1391539 CC(C)CCC(C)(C)Oc1cccc2c1cc[nH]2 34a_100000763377_200000037585 [0,1,0,0,1,0|2,0,0]=4 126 B19R2.1 CC(C)NC(=O)COc1cccc2c1ccn2C 34a_100000094269_100000183996 [0,1,0,0,1,0|0,0,2]=4 127 B19R2.101040 Cc1cc2c(cccc2[nH]1)OCC(=O)NC(C)C 34a_200000059750_100000183996 [0,1,0,0,1,0|0,0,2]=4 128 B19R2.922421 Cc1ccc(c2c1[nH]cc2)OCC(=O)NC(C)C 34a_100000132354_100000183996 [0,1,0,0,1,0|0,0,2]=4 129 B19R2.1022695 CC(C)N(C)C(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000230190 [0,1,0,0,1,0|0,0,2]=4 130 B19R2.1033708 CC(C)(C)NC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000182746 [0,1,0,0,1,0|0,0,2]=4 131 B19R2.1033708 C[N+](C)(C)CC(O)COc1cccc2c1cc[nH]2 34a_100000763377_100000032816 [0,1,0,0,1,0|1,0,0]=3 132 B19R2.1033708 C[N+](C)(C)CC(O)COc1cccc2c1ccs2 34a_100000077759_100000032816 [0,1,0,0,1,0|2,0,0]=4 133 B19R2.1033708 C[N+](C)(C)CC(O)COc1cccc2c1ccs2 7a_100000077759_100000032816 [0,1,0,0,1,0|2,0,0]=4 134 B19R2.1033708 C[N+](C)(C)CC(O)CSc1cccc2c1cc[nH]2 62a_100000032816_100000685724 [0,1,0,0,1,0|1,1,0]=4 135 B19R2.1115713 CC(C)C[C@@H](CO)NCc1cccc2c1cc[nH]2 207a_100011830311_100000750904 [0,1,0,0,1,0|2,0,0]=4 136 B21R2.5137648 CC(C)NCC(COc1cccc2c1cccc2)O[13CH3] 34a_100015191191_200025704644 [0,1,0,0,0,1|1,0,0]=3 137 B21R2.5137648 COC(CNC(C)C)COc1cccc2c1cccc2 34a_100015191191_200000210301 [0,1,0,0,0,1|1,0,0]=3 138 B21R2.19801284 CC(C)N(C)CC(O)COc1cccc2c1cccc2 2230a_100015191191_200000210301 [0,1,0,0,0,1|1,0,0]=3 139 B21R2.19801284 CC(C)N(C)CC(O)COc1cccc2c1cccc2 269982a_100015191191_200000210301 [0,1,0,0,0,1|1,0,0]=3 140 B21R2.19801284 CC(C)N(C)CC(O)COc1cccc2c1cccc2 34a_100015191191_200000210301 [0,1,0,0,0,1|1,0,0]=3 141 B21R2.19801284 CC(C)N([13CH3])CC(O)COc1cccc2c1cccc2 2230a_100015191191_200025704644 [0,1,0,0,0,1|1,0,0]=3 142 B21R2.19801284 CC(C)N([13CH3])CC(O)COc1cccc2c1cccc2 269982a_100015191191_200025704644 [0,1,0,0,0,1|1,0,0]=3 143 B21R2.19801284 CC(C)N([13CH3])CC(O)COc1cccc2c1cccc2 34a_100015191191_200025704644 [0,1,0,0,0,1|1,0,0]=3 144 B19R2.120144 C/C=C/c1ccccc1OC[C@H]2COC(O2)(C)C 7a_200000189419_100015422573 [0,0,1,1,0,0|2,0,0]=4 145 B19R3.51160 CN1CCC(C1)COc2cccc3c2cc[nH]3 34a_100000763377_200000690779 [1,0,0,1,0,0|2,0,0]=4 146 B19R3.5502 FC1CCCCC1Oc2cccc3c2cc[nH]3 34a_100000763377_100015423560 [1,0,0,1,0,0|2,0,0]=4 147 B19R3.5502 OC1CCCCC1Oc2cccc3c2cc[nH]3 34a_100000763377_100000038908 [1,0,0,1,0,0|1,0,0]=3 148 B19R3.5502 OC1CCCCC1Oc2cccc3c2ccs3 34a_100000077759_100000038908 [1,0,0,1,0,0|2,0,0]=4 149 B19R3.5502 OC1CCCCC1Sc2cccc3c2cc[nH]3 62a_100000038908_100000685724 [1,0,0,1,0,0|1,1,0]=4 150 B19R3.19245 c1cc(c2cc[nH]c2c1)OCC3CCCCC3 34a_100000763377_100000211423 [1,0,0,1,0,0|2,0,0]=4 151 B19R3.19245 c1cc(c2cc[nH]c2c1)OCC3CCCCO3 34a_100000763377_100000211543 [1,0,0,1,0,0|1,0,0]=3 152 B19R3.19245 c1cc(c2cc[nH]c2c1)OCC3CCCOC3 34a_100000763377_100000741521 [1,0,0,1,0,0|2,0,0]=4 153 B19R3.19245 c1cc(c2cc[nH]c2c1)SCC3CCCCO3 62a_100000211543_100000685724 [1,0,0,1,0,0|1,1,0]=4 154 B19R3.19245 c1cc(c2ccsc2c1)OCC3CCCCO3 34a_100000077759_100000211543 [1,0,0,1,0,0|2,0,0]=4 155 B19R3.19245 c1cc(c2ccsc2c1)OCC3CCCCO3 7a_100000077759_100000211543 [1,0,0,1,0,0|2,0,0]=4 156 B19R3.3847 CC1CCC(CC1)Oc2cccc3c2cc[nH]3 34a_100000763377_200011216234 [0,0,0,1,1,0|2,0,0]=4 157 B21R3.511157 CC(C)N1CCC(C1)COc2cccc3c2cc[nH]3 34a_100000763377_100015187125 [0,0,0,1,0,1|1,0,0]=3 158 B21R3.511157 CC(C)N1CCC(C1)COc2cccc3c2ccs3 34a_100000077759_100015187125 [0,0,0,1,0,1|2,0,0]=4 159 B21R3.511157 CC(C)N1CCC(C1)CSc2cccc3c2cc[nH]3 62a_100015187125_100000685724 [0,0,0,1,0,1|1,1,0]=4 160 B21R3.30911 C[C@H]1CN[C@@H](CN1)COCc2cccc3c2cn[nH]3 34a_100160570299_100020636439 [0,0,0,1,0,1|2,0,0]=4 161 B21R3.27358949 CC1(OCC(O1)COCc2cccc3c2cn[nH]3)C 34a_100000729170_100020636439 [0,0,0,1,0,1|2,0,0]=4 162 B21R3.27358949 CC1(OCC(O1)COCc2cccc3c2cn[nH]3)C 7a_100000729170_100020636439 [0,0,0,1,0,1|2,0,0]=4 163 B21R3.27358949 CC1(OC[C@@H](O1)CNCc2cccc3c2cc[nH]3)C 207a_100015982057_100000750904 [0,0,0,1,0,1|2,0,0]=4 164 B21R3.27358949 CC1(OC[C@@H](O1)CNCc2cccc3c2cc[nH]3)C 270004a_100011912549_100009815026 [0,0,0,1,0,1|2,0,0]=4 165 B21R3.3992450 CC1(OC[C@@H](O1)COc2cccc3c2CC=CC3)C 7a_100000074931_100015422573 [0,0,0,1,0,1|2,0,0]=4 166 B21R3.3992450 CC1(OC[C@@H](O1)COc2cccc3c2cccc3)C 7a_100000210388_100015422573 [0,0,0,1,0,1|2,0,0]=4 167 B21R3.2967 Cn1ccc2c1cccc2SCC3COC(O3)(C)C 62a_100000198056_200011934935 [0,1,0,1,0,0|1,1,0]=4 168 B21R3.2967 Cn1ccc2c1cccc2SC[C@H]3COC(O3)(C)C 62a_100015422573_200011934935 [0,1,0,1,0,0|1,1,0]=4 169 B21R3.235146 CC1(OCC(O1)CSc2c(ccc3c2cc[nH]3)F)C 62a_100000198056_100102525403 [0,1,0,1,0,0|1,1,0]=4 170 B21R3.235146 CC1(OC[C@@H](O1)CSc2c(ccc3c2cc[nH]3)F)C 62a_100015422573_100102525403 [0,1,0,1,0,0|1,1,0]=4 171 B21R3.235146 Cc1ccc2[nH]ccc2c1SCC3COC(O3)(C)C 62a_100000198056_100010248896 [0,1,0,1,0,0|1,1,0]=4 172 B21R3.235146 Cc1ccc2[nH]ccc2c1SC[C@H]3COC(O3)(C)C 62a_100015422573_100010248896 [0,1,0,1,0,0|1,1,0]=4 173 B21R3.409049 CC1(OCC(O1)CSc2cc(cc3c2cc[nH]3)Br)C 62a_100000198056_100009814761 [0,1,0,1,0,0|1,1,0]=4 174 B21R3.409049 CC1(OCC(O1)CSc2cc(cc3c2cc[nH]3)Br)C 62a_100009814761_100000198056 [0,1,0,1,0,0|1,1,0]=4 175 B21R3.409049 CC1(OCC(O1)CSc2cc(cc3c2cc[nH]3)F)C 62a_100000198056_100010188273 [0,1,0,1,0,0|1,1,0]=4 176 B21R3.409049 CC1(OCC(O1)CSc2cc(cc3c2cc[nH]3)F)C 62a_100010188273_100000198056 [0,1,0,1,0,0|1,1,0]=4 177 B21R3.409049 CC1(OCC(O1)CSc2cc(cc3c2cc[nH]3)N)C 62a_100000198056_100010006569 [0,1,0,1,0,0|1,1,0]=4 178 B21R3.409049 CC1(OC[C@@H](O1)CSc2cc(cc3c2cc[nH]3)Br)C 62a_100009814761_100015422573 [0,1,0,1,0,0|1,1,0]=4 179 B21R3.409049 CC1(OC[C@@H](O1)CSc2cc(cc3c2cc[nH]3)Br)C 62a_100015422573_100009814761 [0,1,0,1,0,0|1,1,0]=4 180 B21R3.409049 CC1(OC[C@@H](O1)CSc2cc(cc3c2cc[nH]3)F)C 62a_100010188273_100015422573 [0,1,0,1,0,0|1,1,0]=4 181 B21R3.409049 CC1(OC[C@@H](O1)CSc2cc(cc3c2cc[nH]3)F)C 62a_100015422573_100010188273 [0,1,0,1,0,0|1,1,0]=4 182 B21R3.409049 CC1(OC[C@@H](O1)CSc2cc(cc3c2cc[nH]3)N)C 62a_100015422573_100010006569 [0,1,0,1,0,0|1,1,0]=4 183 B21R3.409049 Cc1cc(c2cc[nH]c2c1)SCC3COC(O3)(C)C 62a_100000198056_100010186026 [0,1,0,1,0,0|1,1,0]=4 184 B21R3.409049 Cc1cc(c2cc[nH]c2c1)SC[C@H]3COC(O3)(C)C 62a_100015422573_100010186026 [0,1,0,1,0,0|1,1,0]=4 185 B21R3.467361 Cc1cc2c(cccc2[nH]1)SCC3COC(O3)(C)C 62a_100000198056_100010143266 [0,1,0,1,0,0|1,1,0]=4 186 B21R3.467361 Cc1cc2c(cccc2[nH]1)SC[C@H]3COC(O3)(C)C 62a_100015422573_100010143266 [0,1,0,1,0,0|1,1,0]=4 187 B21R3.7116464 CC1(OCC(O1)CSc2ccc(c3c2cc[nH]3)F)C 62a_100000198056_100010006601 [0,1,0,1,0,0|1,1,0]=4 188 B21R3.7116464 CC1(OC[C@@H](O1)CSc2ccc(c3c2cc[nH]3)F)C 62a_100015422573_100010006601 [0,1,0,1,0,0|1,1,0]=4 189 B21R3.7116464 Cc1ccc(c2c1[nH]cc2)SCC3COC(O3)(C)C 62a_100000198056_100009820812 [0,1,0,1,0,0|1,1,0]=4 190 B21R3.7116464 Cc1ccc(c2c1[nH]cc2)SC[C@H]3COC(O3)(C)C 62a_100015422573_100009820812 [0,1,0,1,0,0|1,1,0]=4 191 B21R3.9646 COC1CCC(CC1)COc2cccc3c2cc[nH]3 34a_100000763377_100013032858 [0,1,0,1,0,0|2,0,0]=4 192 B21R3.43792090 CC1(OCC(O1)CC(=O)c2cccc3c2cc[nH]3)C 1458a_100000740066_100000198056 [0,1,0,1,0,0|2,0,0]=4 193 B21R3.43792090 CC1(OC[C@@H](O1)CC(=O)c2cccc3c2cc[nH]3)C 1458a_100000740066_100015422573 [0,1,0,1,0,0|2,0,0]=4 194 B21R3.27701685 Cc1c[nH]c2c1c(ccc2)SCC3COC(O3)(C)C 62a_100000198056_100010194227 [0,1,0,1,0,0|1,1,0]=4 195 B21R3.27701685 Cc1c[nH]c2c1c(ccc2)SC[C@H]3COC(O3)(C)C 62a_100015422573_100010194227 [0,1,0,1,0,0|1,1,0]=4 196 B17R2.44757 CC(=CCCOc1cccc2c1cc[nH]2)C 34a_100000763377_100011217483 [1,0,0,0,1,0|0,0,2]=4 197 B17R2.44757 CC(=O)CCCOc1cccc2c1cc[nH]2 34a_100000763377_100000685027 [1,0,0,0,1,0|1,0,1]=4 198 B17R2.44757 CC(C)CCCNc1cccc2c1ccs2 34a_100020628958_100011214892 [1,0,0,0,1,0|2,0,0]=4 199 B17R2.44757 CC(C)CCCOc1cccc2c1CCN2 34a_100000703684_100011214892 [1,0,0,0,1,0|0,0,2]=4 200 B17R2.44757 CC(C)CCCOc1cccc2c1cc[nH]2 34a_100000763377_100011214892 [1,0,0,0,1,0|0,0,0]=2 201 B17R2.44757 CC(C)CCCOc1cccc2c1ccs2 34a_100000077759_100011214892 [1,0,0,0,1,0|1,0,0]=3 202 B17R2.44757 CC(C)CCCOc1cccc2c1ccs2 7a_100000077759_100011214892 [1,0,0,0,1,0|1,0,0]=3 203 B17R2.44757 CC(C)CCCOc1cccc2c1ncs2 34a_100000101385_100011214892 [1,0,0,0,1,0|2,0,0]=4 204 B17R2.44757 CC(C)CCCOc1cccc2c1ncs2 7a_100000101385_100011214892 [1,0,0,0,1,0|2,0,0]=4 205 B17R2.44757 CC(C)CCCSc1cccc2c1cc[nH]2 62a_100011214892_100000685724 [1,0,0,0,1,0|0,1,0]=3 206 B17R2.44757 CC(C)CCCSc1cccc2c1cco2 62a_100011214892_100000756496 [1,0,0,0,1,0|1,1,0]=4 207 B17R2.44757 CC(C)CCCSc1cccc2c1ccs2 62a_100011214892_100009816950 [1,0,0,0,1,0|1,1,0]=4 208 B17R2.44757 CC(C)CCCSc1cccc2c1cn[nH]2 62a_100011214892_100000753301 [1,0,0,0,1,0|1,1,0]=4 209 B17R2.44757 CC(C)CCCSc1cccc2c1nc[nH]2 62a_100011214892_100011935113 [1,0,0,0,1,0|1,1,0]=4 210 B17R2.44757 CC(C)CCCSc1ccnc2c1cc[nH]2 62a_100011214892_100000766882 [1,0,0,0,1,0|1,1,0]=4 211 B17R2.44757 CC(C)CCCSc1cncc2c1cc[nH]2 62a_100011214892_100009840476 [1,0,0,0,1,0|1,1,0]=4 212 B17R2.44757 CC(C)CCCSc1nccc2c1cc[nH]2 62a_100011214892_100000086534 [1,0,0,0,1,0|1,1,0]=4 213 B17R2.44757 CC(C)CCNCc1cccc2c1cc[nH]2 207a_100000210545_100000750904 [1,0,0,0,1,0|2,0,0]=4 214 B17R2.44757 CC(C)CCNCc1cccc2c1cc[nH]2 269862a_100011912549_100000185833 [1,0,0,0,1,0|2,0,0]=4 215 B17R2.44757 CC(C)OCCOc1cccc2c1cc[nH]2 34a_100000763377_100000211751 [1,0,0,0,1,0|1,0,0]=3 216 B17R2.44757 CC(C)OCCOc1cccc2c1ccs2 34a_100000077759_100000211751 [1,0,0,0,1,0|2,0,0]=4 217 B17R2.44757 CC(C)OCCOc1cccc2c1ccs2 7a_100000077759_100000211751 [1,0,0,0,1,0|2,0,0]=4 218 B17R2.44757 CC(C)OCCSc1cccc2c1cc[nH]2 62a_100000211751_100000685724 [1,0,0,0,1,0|1,1,0]=4 219 B17R2.44757 CC(C)SCCOc1cccc2c1cc[nH]2 34a_100000763377_100000730970 [1,0,0,0,1,0|1,0,0]=3 220 B17R2.44757 CC(C)SCCOc1cccc2c1ccs2 34a_100000077759_100000730970 [1,0,0,0,1,0|2,0,0]=4 221 B17R2.44757 CC(C)SCCOc1cccc2c1ccs2 7a_100000077759_100000730970 [1,0,0,0,1,0|2,0,0]=4 222 B17R2.44757 CC(C)SCCSc1cccc2c1cc[nH]2 62a_100000730970_100000685724 [1,0,0,0,1,0|1,1,0]=4 223 B17R2.44757 CC(O)CCCOc1cccc2c1cc[nH]2 34a_100000763377_200000718107 [1,0,0,0,1,0|1,0,0]=3 224 B17R2.44757 CC(O)CCCOc1cccc2c1ccs2 34a_100000077759_200000718107 [1,0,0,0,1,0|2,0,0]=4 225 B17R2.44757 CC(O)CCCOc1cccc2c1ccs2 7a_100000077759_200000718107 [1,0,0,0,1,0|2,0,0]=4 226 B17R2.44757 CC(O)CCCSc1cccc2c1cc[nH]2 62a_200000718107_100000685724 [1,0,0,0,1,0|1,1,0]=4 227 B17R2.44757 CN(C)CCCOc1cccc2c1ccs2 7a_100000077759_100000757444 [1,0,0,0,1,0|2,0,0]=4 228 B17R2.74423 CCCCC(C)Oc1cccc2c1cc[nH]2 34a_100000763377_200011215066 [1,0,0,0,1,0|2,0,0]=4 229 B17R2.147063 CC(C)CC(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_100000210624 [0,0,0,0,2,0|0,0,2]=4 230 B17R2.147063 CC(C)CC(C)Oc1cccc2c1cc[nH]2 34a_100000763377_100000731052 [0,0,0,0,2,0|1,0,0]=3 231 B17R2.147063 CC(C)CC(C)Oc1cccc2c1ccs2 34a_100000077759_100000731052 [0,0,0,0,2,0|2,0,0]=4 232 B17R2.147063 CC(C)CC(C)Oc1cccc2c1ccs2 7a_100000077759_100000731052 [0,0,0,0,2,0|2,0,0]=4 233 B17R2.147063 CC(C)CC(C)Sc1cccc2c1cc[nH]2 62a_100000731052_100000685724 [0,0,0,0,2,0|1,1,0]=4 234 B17R2.147063 CC(C)CN(C)Cc1cccc2c1cc[nH]2 2230a_100000719444_100000210760 [0,0,0,0,2,0|2,0,0]=4 235 B17R2.147063 CC(C)CN(C)Cc1cccc2c1cc[nH]2 269982a_100000719444_100000210624 [0,0,0,0,2,0|2,0,0]=4 236 B17R2.147063 CC(C)CN(C)Cc1cccc2c1cc[nH]2 270004a_100000719444_100000210432 [0,0,0,0,2,0|2,0,0]=4 237 B17R2.147063 CC(C)NC(=O)Cc1cccc2c1cc[nH]2 11a_100138425928_100000094506 [0,0,0,0,2,0|0,0,2]=4 238 B17R2.147063 CC(C)NC(=O)Cc1cccc2c1cc[nH]2 527a_100138425928_100000094506 [0,0,0,0,2,0|0,0,2]=4 239 B17R2.84729 CC(C)C(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000753385 [0,0,0,0,2,0|0,0,2]=4 240 B19R2.164105 CC(C)CCCCCOc1cccc2c1cc[nH]2 34a_100000763377_100000210682 [1,0,0,0,0,1|1,0,0]=3 241 B19R2.164105 CC(C)CCCCCOc1cccc2c1ccs2 34a_100000077759_100000210682 [1,0,0,0,0,1|2,0,0]=4 242 B19R2.164105 CC(C)CCCCCOc1cccc2c1ccs2 7a_100000077759_100000210682 [1,0,0,0,0,1|2,0,0]=4 243 B19R2.164105 CC(C)CCCCCSc1cccc2c1cc[nH]2 62a_100000210682_100000685724 [1,0,0,0,0,1|1,1,0]=4 244 B19R2.164105 CC(C)CCCCOCc1cccc2c1cn[nH]2 34a_100011214890_100020636439 [1,0,0,0,0,1|2,0,0]=4 245 B19R2.164105 CC(C)CCCCOCc1cccc2c1cn[nH]2 7a_100011214890_100020636439 [1,0,0,0,0,1|2,0,0]=4 246 B19R2.164105 CC(C)NCCCOCc1cccc2c1cn[nH]2 34a_100000182298_100020636439 [1,0,0,0,0,1|1,0,0]=3 247 B19R2.164105 CC(C)NCCCOCc1cccc2c1ncs2 34a_100000182298_100010883896 [1,0,0,0,0,1|2,0,0]=4 248 B19R2.164105 CC(C)NCCCOCc1cccc2c1scc2 34a_100000182298_100009816938 [1,0,0,0,0,1|2,0,0]=4 249 B19R2.164105 CC(C)NCCCOCc1cccc2n1ccn2 34a_100000182298_200020640960 [1,0,0,0,0,1|1,0,1]=4 250 B19R2.164105 CC(C)OCCCNCc1cccc2c1cc[nH]2 207a_100000737246_100000750904 [1,0,0,0,0,1|2,0,0]=4 251 B19R2.1021309 CC(C)CCCCOc1cccc2c1CC=CC2 34a_100000074931_100011216152 [1,0,0,0,0,1|2,0,0]=4 252 B19R2.1021309 CC(C)CCCCOc1cccc2c1CC=CC2 7a_100000074931_100011216152 [1,0,0,0,0,1|2,0,0]=4 253 B19R2.1021309 CC(C)CCCCOc1cccc2c1cccc2 34a_100000210388_100011216152 [1,0,0,0,0,1|2,0,0]=4 254 B19R2.1021309 CC(C)CCCCOc1cccc2c1cccc2 7a_100000210388_100011216152 [1,0,0,0,0,1|2,0,0]=4 255 B19R2.1021309 CC(C)CCCCOc1cccc2c1cccn2 34a_100011197808_100011216152 [1,0,0,0,0,1|1,0,1]=4 256 B19R2.1021309 CC(C)CCCCOc1cccc2c1ccnc2 34a_100011218533_100011216152 [1,0,0,0,0,1|1,0,1]=4 257 B19R2.1021309 CC(C)CCCCOc1cccc2c1cncc2 34a_103624766955_100011216152 [1,0,0,0,0,1|2,0,0]=4 258 B19R2.1021309 CC(C)CCCCOc1cccc2c1nccc2 34a_100000056035_100011216152 [1,0,0,0,0,1|2,0,0]=4 259 B19R2.1021309 CC(C)CCCCOc1cccc2c1nccn2 34a_100000077048_100011216152 [1,0,0,0,0,1|1,0,1]=4 260 B19R2.1021309 CC(C)NCCCOc1cccc2c1nccc2 34a_200000751901_100000210206 [1,0,0,0,0,1|1,0,0]=3 261 B19R2.200414 CCOCC(O)CNCc1cccc2c1cc[nH]2 207a_102515437182_100000750904 [1,0,0,0,0,1|2,0,0]=4 262 B21R2.4813801 CC(C)CCCC(C)CCOc1cccc2c1cc[nH]2 34a_100000763377_100009816328 [0,0,0,0,0,2|2,0,0]=4